Description

2,4-Dichloro-3-cyano-5-fluorobenzoic acid (CAS No. 117528-58-2) is a high-purity, halogen-substituted benzoic acid derivative designed for advanced research and industrial applications. With the molecular formula C₈H₂Cl₂FNO₂, this compound features a unique combination of chloro, fluoro, and cyano functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical development. Its precise structure (IUPAC name: 2,4-dichloro-3-cyano-5-fluorobenzoic acid) ensures consistent reactivity for coupling reactions, agrochemical synthesis, and material science research. Available in >98% purity (HPLC), it is supplied in sealed packaging under inert conditions to guarantee stability. Synonyms include MFCD18801150 and 3-cyano-2,4-dichloro-5-fluorobenzoic acid.

Properties

• CAS Number: 117528-58-2
• Complexity: 290
• IUPAC Name: 2,4-dichloro-3-cyano-5-fluoro-benzoic acid
• InChI: InChI=1S/C8H2Cl2FNO2/c9-6-3(8(13)14)1-5(11)7(10)4(6)2-12/h1H,(H,13,14)
• InChI Key: PAJAHSZQWFSIFX-UHFFFAOYSA-N
• Exact Mass: 232.9446619
• Molecular Formula: C8H2Cl2FNO2
• Molecular Weight: 234.01
• SMILES: C1=C(C(=C(C(=C1F)Cl)C#N)Cl)C(=O)O
• Topological: 61.1
• Monoisotopic Mass: 232.9446619
• Synonyms: 2,4-Dichloro-3-cyano-5-fluorobenzoic acid, 117528-58-2, 3-cyano-2,4-dichloro-5-fluorobenzoic acid, MFCD18801150, C8H2Cl2FNO2, 2,4-dichloro-3-cyano-5-fluoro-benzoic Acid, Benzoic acid, 2,4-dichloro-3-cyano-5-fluoro-, SCHEMBL5361238, DTXSID10447725, PAJAHSZQWFSIFX-UHFFFAOYSA-N, AKOS016005416, DS-2449, DA-15026, SY111721, 2,4-Dichloro-3-cyano-5-fluorobenzoicacid, 3-cyano2,4-dichloro-5-fluorobenzoic acid, 3cyano-2,4-dichloro-5-fluorobenzoic acid, CS-0060111, 2 pound not4-Dichloro-3-cyano-5-fluorobenzoic acid

Application

This compound serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly herbicides and antimicrobial agents. Its reactive cyano and carboxyl groups enable facile derivatization for drug discovery pipelines. Researchers also utilize it in ligand design for catalysis and as a precursor for specialty polymers with enhanced thermal stability. The dichloro-fluorobenzene core is valuable in developing PET radiotracers and agrochemical intermediates.

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